| SpectraBase Spectrum ID |
F8icqEnY6mD |
| Name |
benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.089226181 u |
| Formula |
C20H16N4O4S |
| InChI |
InChI=1S/C20H16N4O4S/c1-2-3-16-23-24-17(21)14(18(25)22-20(24)29-16)10-13-8-9-15(28-13)11-4-6-12(7-5-11)19(26)27/h4-10,21H,2-3H2,1H3,(H,26,27)/b14-10-,21-17? |
| InChIKey |
IHFMDNFJAKOXRR-QBILMKHKSA-N |
| Molecular Weight |
408.432 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15610 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10031791; Lab Info: CEP; Lab Number: CEP-6700122 |
![benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-](/api/spectrum/F8icqEnY6mD/structure.png?h=300&w=458 "benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furanyl]-")
